ID: ALA4876371
Chembl Id: CHEMBL4876371
PubChem CID: 164629116
Max Phase: Preclinical
Molecular Formula: C24H18N2O
Molecular Weight: 350.42
Molecule Type: Unknown
Associated Items:
Canonical SMILES: C1=Cc2ccccc2N(Cc2cc(-c3ccccc3)no2)c2ccccc21
Standard InChI: InChI=1S/C24H18N2O/c1-2-8-18(9-3-1)22-16-21(27-25-22)17-26-23-12-6-4-10-19(23)14-15-20-11-5-7-13-24(20)26/h1-16H,17H2
Standard InChI Key: GSLZPKQTSAPMLT-UHFFFAOYSA-N
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: Unknown | Topical: No | First In Class: No | Black Box: No |
| Chirality: No | Availability: No | Prodrug: No |
| MESH ID | MESH Heading | EFO IDs | EFO Terms | Max Phase for Indication | References |
|---|
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
|---|
| Molecular Weight: 350.42 | Molecular Weight (Monoisotopic): 350.1419 | AlogP: 6.16 | #Rotatable Bonds: 3 |
| Polar Surface Area: 29.27 | Molecular Species: NEUTRAL | HBA: 3 | HBD: ┄ |
| #RO5 Violations: 1 | HBA (Lipinski): 3 | HBD (Lipinski): ┄ | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: ┄ | CX Basic pKa: ┄ | CX LogP: 6.05 | CX LogD: 6.05 |
| Aromatic Rings: 4 | Heavy Atoms: 27 | QED Weighted: 0.44 | Np Likeness Score: -0.93 |
| 1. Umm-E-Farwa, Ullah S, Khan MA, Zafar H, Atia-Tul-Wahab, Younus M, Choudhary MI, Basha FZ.. (2021) Dibenzazepine-linked isoxazoles: New and potent class of α-glucosidase inhibitors., 40 [PMID:33766763] [10.1016/j.bmcl.2021.127979] |
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